2-butyl-5,7,7-trimethyl-1,2,4,6-tetrahydropyrazolo[1,5-a]pyrazine

C13H25N3 — CID 156637625

IUPAC2-butyl-5,7,7-trimethyl-1,2,4,6-tetrahydropyrazolo[1,5-a]pyrazine
SMILESCCCCC1C=C2CN(C)CC(C)(C)N2N1
InChIInChI=1S/C13H25N3/c1-5-6-7-11-8-12-9-15(4)10-13(2,3)16(12)14-11/h8,11,14H,5-7,9-10H2,1-4H3
InChIKeyZZQUWANFAUUQOF-UHFFFAOYSA-N
MW223.36 g/mol
LogP1.97
Rot. Bonds3

About 2-butyl-5,7,7-trimethyl-1,2,4,6-tetrahydropyrazolo[1,5-a]pyrazine

2-butyl-5,7,7-trimethyl-1,2,4,6-tetrahydropyrazolo[1,5-a]pyrazine (PubChem CID 156637625) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-butyl-5,7,7-trimethyl-1,2,4,6-tetrahydropyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-butyl-5,7,7-trimethyl-1,2,4,6-tetrahydropyrazolo[1,5-a]pyrazine
PubChem CID156637625
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name2-butyl-5,7,7-trimethyl-1,2,4,6-tetrahydropyrazolo[1,5-a]pyrazine
SMILESCCCCC1C=C2CN(C)CC(C)(C)N2N1
InChIInChI=1S/C13H25N3/c1-5-6-7-11-8-12-9-15(4)10-13(2,3)16(12)14-11/h8,11,14H,5-7,9-10H2,1-4H3
InChIKeyZZQUWANFAUUQOF-UHFFFAOYSA-N
XLogP1.97
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Propan-2-yl-1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyridine
CID 166647551
3-(2,3-dihydro-1H-pyrrol-5-yl)diazinane
CID 173214453
(2,5-Dimethyl-2-piperidin-1-ylhex-4-en-3-yl)hydrazine
CID 105239984
7-(2-Methylpropyl)-1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyridine
CID 169193178

Frequently Asked Questions

What is the IUPAC name of 2-butyl-5,7,7-trimethyl-1,2,4,6-tetrahydropyrazolo[1,5-a]pyrazine?
The IUPAC name of 2-butyl-5,7,7-trimethyl-1,2,4,6-tetrahydropyrazolo[1,5-a]pyrazine (CID 156637625) is 2-butyl-5,7,7-trimethyl-1,2,4,6-tetrahydropyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-butyl-5,7,7-trimethyl-1,2,4,6-tetrahydropyrazolo[1,5-a]pyrazine?
The canonical SMILES for 2-butyl-5,7,7-trimethyl-1,2,4,6-tetrahydropyrazolo[1,5-a]pyrazine is CCCCC1C=C2CN(C)CC(C)(C)N2N1.
What is the InChIKey of 2-butyl-5,7,7-trimethyl-1,2,4,6-tetrahydropyrazolo[1,5-a]pyrazine?
The InChIKey is ZZQUWANFAUUQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-5-6-7-11-8-12-9-15(4)10-13(2,3)16(12)14-11/h8,11,14H,5-7,9-10H2,1-4H3.
What are the key properties of 2-butyl-5,7,7-trimethyl-1,2,4,6-tetrahydropyrazolo[1,5-a]pyrazine?
2-butyl-5,7,7-trimethyl-1,2,4,6-tetrahydropyrazolo[1,5-a]pyrazine has a molecular weight of 223.36 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5,7,7-trimethyl-1,2,4,6-tetrahydropyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 156637625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).